#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi n LYS 2 N 0.00 0.00 0.07 5.56 4.76 -1.26 -4.95 118.16 122.34 2kmi n LYS 2 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2kmi n LYS 2 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2kmi n LYS 2 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2kmi h LYS 3 N 0.00 0.00 -2.06 1.97 2.10 -2.05 -3.39 116.57 113.15 2kmi h LYS 3 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2kmi h LYS 3 Cb 0.00 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 30.93 2kmi h LYS 3 CO 0.00 0.62 -0.97 0.36 -2.00 0.00 0.00 179.45 177.45 2kmi n LYS 4 N -3.17 1.26 -1.14 0.07 2.85 -1.26 -4.78 118.16 111.98 2kmi n LYS 4 Ca -0.04 -3.64 -0.26 0.00 -1.05 0.00 0.00 58.31 53.32 2kmi n LYS 4 Cb 0.87 -1.54 0.05 0.00 -0.65 0.00 0.00 35.03 33.76 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kmi n ASP 5 N 1.14 7.03 -3.80 -5.58 2.03 -1.15 -3.63 116.55 112.59 2kmi n ASP 5 Ca 0.24 -3.40 -0.30 0.00 0.52 0.00 0.00 54.79 51.84 2kmi n ASP 5 Cb 0.51 -1.03 0.24 0.00 -0.72 0.00 0.00 41.12 40.11 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmi s ILE 6 N -3.45 1.64 -0.94 5.18 -0.00 -1.24 -4.61 121.20 117.79 2kmi s ILE 6 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.13 2kmi s ILE 6 Cb 0.37 -2.57 0.32 0.00 -0.00 0.00 0.00 42.46 40.58 2kmi s ILE 6 CO -0.03 0.00 1.64 0.54 -0.00 0.00 0.00 174.94 177.09 2kmi n ARG 7 N -4.64 4.99 -2.29 0.37 5.12 -1.26 -4.78 116.66 114.17 2kmi n ARG 7 Ca 0.14 -4.71 -0.14 0.00 -1.93 0.00 0.00 57.85 51.21 2kmi n ARG 7 Cb 0.60 -2.42 -0.01 0.00 -1.16 0.00 0.00 32.46 29.46 2kmi n ARG 7 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kmi n ASP 8 N -0.08 -4.24 -2.77 0.55 2.03 -1.26 -3.57 116.55 107.21 2kmi n ASP 8 Ca 0.43 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.91 2kmi n ASP 8 Cb 0.29 -3.62 -0.01 0.00 -0.72 0.00 0.00 41.12 37.05 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kmi n TYR 9 N -3.30 -3.41 0.00 -0.67 4.02 -1.26 -5.02 117.16 107.53 2kmi n TYR 9 Ca -0.16 1.68 0.00 0.00 -0.01 0.00 0.00 57.90 59.40 2kmi n TYR 9 Cb 0.60 -3.44 0.00 0.00 -0.02 0.00 0.00 39.34 36.48 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2kmi n ASN 10 N 1.16 0.00 -2.69 7.72 5.03 -1.23 -5.03 115.26 120.21 2kmi n ASN 10 Ca -0.11 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.26 2kmi n ASN 10 Cb 0.24 0.24 0.09 0.00 -1.02 0.00 0.00 39.78 39.33 2kmi n ASN 10 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kmi n ASP 11 N -2.29 -0.86 -0.04 6.41 8.00 -1.26 -4.96 116.55 121.55 2kmi n ASP 11 Ca 0.00 -2.51 -0.03 0.00 0.71 0.00 0.00 54.79 52.96 2kmi n ASP 11 Cb 0.00 0.53 0.21 0.00 -0.02 0.00 0.00 41.12 41.84 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmi h ALA 12 N 2.24 1.18 -0.99 2.24 0.00 -1.96 -2.76 119.26 119.21 2kmi h ALA 12 Ca -0.23 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.53 2kmi h ALA 12 Cb 1.27 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2kmi h ALA 12 CO 0.09 0.53 0.63 -0.44 0.00 0.00 0.00 179.25 180.06 2kmi h ASP 13 N 0.59 0.91 0.12 0.00 3.32 -1.92 -0.36 116.42 119.07 2kmi h ASP 13 Ca 0.11 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2kmi h ASP 13 Cb 0.47 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2kmi h ASP 13 CO 0.02 0.48 -0.44 0.24 -1.72 0.00 0.00 179.24 177.83 2kmi h MET 14 N 0.98 0.40 -0.20 3.56 2.86 -1.67 -2.82 114.93 118.04 2kmi h MET 14 Ca 0.49 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 2kmi h MET 14 Cb 0.50 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2kmi h MET 14 CO -0.26 0.76 0.23 0.00 1.06 0.00 0.00 176.91 178.71 2kmi h ALA 15 N 1.21 1.79 -0.18 6.32 0.00 -0.96 -0.22 119.26 127.21 2kmi h ALA 15 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2kmi h ALA 15 Cb 0.90 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kmi h ALA 15 CO 0.08 -0.34 0.22 -0.09 0.00 0.00 0.00 179.25 179.12 2kmi h ARG 16 N 0.00 0.00 -0.23 0.00 1.12 -1.41 -0.28 114.38 113.58 2kmi h ARG 16 Ca 0.09 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.03 2kmi h ARG 16 Cb 0.56 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 2kmi h ARG 16 CO -0.00 0.00 0.26 1.37 -3.11 0.00 0.00 179.97 178.49 2kmi h LEU 17 N 0.00 0.00 -1.99 3.80 8.10 -1.24 -0.78 115.31 123.20 2kmi h LEU 17 Ca 0.09 0.00 0.23 0.00 0.11 0.00 0.00 57.88 58.30 2kmi h LEU 17 Cb 0.53 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 2kmi h LEU 17 CO -0.00 0.00 0.57 -0.07 -4.11 0.00 0.00 178.44 174.83 2kmi h LEU 18 N 0.00 0.00 -1.70 0.17 -0.00 -1.26 0.72 115.31 113.24 2kmi h LEU 18 Ca 0.11 0.00 0.24 0.00 -0.00 0.00 0.00 57.88 58.23 2kmi h LEU 18 Cb 0.62 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.22 2kmi h LEU 18 CO -0.00 0.00 0.63 -0.08 -0.00 0.00 0.00 178.44 178.99 2kmi h GLU 19 N 0.00 0.22 -0.52 1.13 4.81 -1.36 0.27 114.58 119.14 2kmi h GLU 19 Ca 0.37 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.74 2kmi h GLU 19 Cb 1.51 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 2kmi h GLU 19 CO -0.00 0.15 0.43 0.37 -0.73 0.00 0.00 179.01 179.22 2kmi h GLN 20 N 0.23 0.00 -1.00 1.92 4.15 -0.88 -0.60 115.11 118.93 2kmi h GLN 20 Ca 0.47 0.00 0.18 0.00 0.77 0.00 0.00 58.65 60.07 2kmi h GLN 20 Cb 1.46 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 29.05 2kmi h GLN 20 CO -0.12 0.00 0.61 2.35 -1.93 0.00 0.00 178.83 179.74 2kmi h TRP 21 N 0.00 1.08 0.00 3.99 7.01 -0.64 -2.94 115.95 124.45 2kmi h TRP 21 Ca 0.25 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 2kmi h TRP 21 Cb 1.10 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.84 2kmi h TRP 21 CO 0.00 0.27 -0.00 1.49 -2.79 0.00 0.00 178.44 177.41 2kmi h GLU 22 N 0.80 0.00 -2.16 2.65 4.57 -1.29 -3.47 114.58 115.68 2kmi h GLU 22 Ca 0.57 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.39 2kmi h GLU 22 Cb 0.83 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.34 2kmi h GLU 22 CO -0.36 0.15 -0.38 1.17 -1.18 0.00 0.00 179.01 178.41 2kmi n LYS 23 N -4.75 -1.62 0.21 1.92 4.81 -1.11 -4.82 118.16 112.79 2kmi n LYS 23 Ca -0.02 0.95 0.08 0.00 -0.87 0.00 0.00 58.31 58.45 2kmi n LYS 23 Cb 0.07 -5.41 0.42 0.00 0.02 0.00 0.00 35.03 30.13 2kmi n LYS 23 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kmi h ASP 24 N 0.00 0.00 -5.80 3.14 1.82 -1.85 -3.48 116.42 110.25 2kmi h ASP 24 Ca -0.38 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 55.89 2kmi h ASP 24 Cb 1.22 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.36 2kmi h ASP 24 CO 0.51 0.29 -0.76 -0.67 -1.61 0.00 0.00 179.24 177.00 2kmi n ASP 25 N -3.50 -2.97 0.11 2.28 2.03 -1.26 -4.85 116.55 108.40 2kmi n ASP 25 Ca -0.00 -0.65 0.19 0.00 0.52 0.00 0.00 54.79 54.85 2kmi n ASP 25 Cb 0.45 -4.86 0.76 0.00 -0.72 0.00 0.00 41.12 36.75 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kmi h ASP 26 N -2.08 0.00 -3.83 1.67 5.19 -1.81 -3.40 116.42 112.16 2kmi h ASP 26 Ca -0.59 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 55.50 2kmi h ASP 26 Cb 1.35 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.57 2kmi h ASP 26 CO 0.53 0.00 -0.75 -0.63 -3.12 0.00 0.00 179.24 175.27 2kmi s ILE 27 N -4.73 0.34 0.00 0.35 -1.09 -1.26 -5.03 121.20 109.78 2kmi s ILE 27 Ca -0.05 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2kmi s ILE 27 Cb 0.16 -0.31 0.00 0.00 -1.58 0.00 0.00 42.46 40.74 2kmi s ILE 27 CO 0.59 0.11 0.00 -1.84 -1.23 0.00 0.00 174.94 172.57 2kmi n GLU 28 N 3.11 2.10 -3.27 2.79 0.28 -1.26 -4.92 120.64 119.47 2kmi n GLU 28 Ca -0.14 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.47 2kmi n GLU 28 Cb 0.58 -0.97 -0.06 0.00 1.43 0.00 0.00 31.44 32.42 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kmi s GLU 29 N -1.94 4.26 0.00 3.44 2.12 -1.26 -4.82 118.70 120.51 2kmi s GLU 29 Ca 0.00 0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.97 2kmi s GLU 29 Cb 0.00 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2kmi s GLU 29 CO 0.00 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 2kmi n GLY 30 N 2.48 0.00 3.81 -1.50 0.00 -1.26 -4.48 105.19 104.24 2kmi n GLY 30 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2kmi n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kmi s ASP 31 N 0.00 6.85 0.27 1.61 -4.77 -1.26 -3.93 116.67 115.43 2kmi s ASP 31 Ca 0.00 1.01 0.08 0.00 -3.30 0.00 0.00 52.55 50.33 2kmi s ASP 31 Cb 0.00 -2.28 -0.04 0.00 -1.09 0.00 0.00 42.92 39.51 2kmi s ASP 31 CO 0.00 0.26 0.18 -0.76 0.70 0.00 0.00 175.17 175.54 2kmi s LEU 32 N -0.79 3.68 -1.06 2.11 1.02 -1.26 -5.03 118.68 117.35 2kmi s LEU 32 Ca 0.25 -0.35 -0.23 0.00 0.02 0.00 0.00 54.13 53.82 2kmi s LEU 32 Cb -0.17 -2.22 -0.07 0.00 0.02 0.00 0.00 46.19 43.75 2kmi s LEU 32 CO 0.14 -0.07 1.94 -2.16 0.02 0.00 0.00 176.35 176.22 2kmi s PRO 33 N -3.83 2.52 -0.13 1.29 0.04 -1.26 -4.94 135.00 128.69 2kmi s PRO 33 Ca 0.34 -0.78 -0.23 0.00 0.04 0.00 0.00 61.00 60.37 2kmi s PRO 33 Cb -0.07 -5.16 -0.03 0.00 0.04 0.00 0.00 34.50 29.27 2kmi s PRO 33 CO 0.24 -3.72 0.68 -2.00 0.04 0.00 0.00 177.00 172.25 2kmi s GLU 34 N 6.70 4.34 0.36 4.56 -6.30 -1.26 -5.04 118.70 122.07 2kmi s GLU 34 Ca 0.69 0.79 -0.03 0.00 -2.50 0.00 0.00 54.97 53.92 2kmi s GLU 34 Cb -0.03 -3.51 0.01 0.00 0.00 0.00 0.00 34.13 30.60 2kmi s GLU 34 CO 0.07 -0.08 0.52 -1.58 0.02 0.00 0.00 175.26 174.20 2kmi s HIS 35 N 1.34 1.03 0.53 5.30 2.46 -1.26 -5.11 115.29 119.58 2kmi s HIS 35 Ca 0.34 -1.29 -0.22 0.00 0.47 0.00 0.00 55.06 54.36 2kmi s HIS 35 Cb -0.17 -0.00 -0.05 0.00 -0.13 0.00 0.00 32.58 32.23 2kmi s HIS 35 CO 0.14 -1.21 1.33 -1.59 -2.47 0.00 0.00 174.74 170.95 2kmi s LYS 36 N -2.87 3.25 0.26 2.88 -2.85 -1.26 -4.78 119.74 114.38 2kmi s LYS 36 Ca 0.29 2.17 0.12 0.00 -1.00 0.00 0.00 55.97 57.55 2kmi s LYS 36 Cb -0.01 -2.29 -0.05 0.00 -2.06 0.00 0.00 37.83 33.42 2kmi s LYS 36 CO 0.21 -1.08 -0.18 1.03 0.10 0.00 0.00 175.35 175.42 2kmi s ARG 37 N -2.86 1.74 0.60 1.78 1.81 -1.26 -5.01 118.95 115.76 2kmi s ARG 37 Ca 0.70 -1.68 -0.17 0.00 -1.72 0.00 0.00 55.73 52.86 2kmi s ARG 37 Cb -0.39 -1.84 -0.03 0.00 -0.45 0.00 0.00 34.95 32.25 2kmi s ARG 37 CO 0.46 0.35 1.12 -1.25 -0.68 0.00 0.00 175.30 175.30 2kmi s PRO 38 N -3.39 3.06 -0.33 3.54 0.04 -1.26 -4.35 135.00 132.31 2kmi s PRO 38 Ca 0.29 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 2kmi s PRO 38 Cb -0.06 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2kmi s PRO 38 CO 0.15 -1.06 0.16 -1.54 0.04 0.00 0.00 177.00 174.75 2kmi s SER 39 N -2.21 5.55 -0.25 6.66 1.04 -1.26 -4.33 113.70 118.90 2kmi s SER 39 Ca 0.70 -0.74 -0.37 0.00 0.48 0.00 0.00 55.95 56.01 2kmi s SER 39 Cb -0.22 -1.99 0.15 0.00 0.10 0.00 0.00 66.02 64.06 2kmi s SER 39 CO 0.35 -0.27 1.34 0.00 0.98 0.00 0.00 173.24 175.64 2kmi s ALA 40 N 1.57 -2.18 -0.12 5.32 0.00 -1.26 -4.96 121.76 120.12 2kmi s ALA 40 Ca 0.03 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 2kmi s ALA 40 Cb -0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2kmi s ALA 40 CO 0.06 -0.58 1.54 -1.25 0.00 0.00 0.00 175.76 175.53 2kmi s PRO 41 N -2.14 4.11 -0.10 0.00 0.04 -1.26 -3.13 135.00 132.53 2kmi s PRO 41 Ca 0.11 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 2kmi s PRO 41 Cb -0.01 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.62 2kmi s PRO 41 CO -0.03 -0.91 -0.07 -1.50 0.04 0.00 0.00 177.00 174.53 2kmi s ILE 42 N 4.15 0.95 0.30 0.56 2.07 -1.26 -5.04 121.20 122.92 2kmi s ILE 42 Ca 0.68 -0.26 0.05 0.00 -1.41 0.00 0.00 60.65 59.70 2kmi s ILE 42 Cb -0.28 -0.96 -0.06 0.00 0.13 0.00 0.00 42.46 41.28 2kmi s ILE 42 CO 0.25 0.35 0.01 -1.81 -1.91 0.00 0.00 174.94 171.84 2kmi s ASP 43 N 1.55 2.43 0.40 4.50 1.11 -1.26 -3.97 116.67 121.43 2kmi s ASP 43 Ca 0.01 -1.30 0.10 0.00 0.18 0.00 0.00 52.55 51.55 2kmi s ASP 43 Cb -0.13 -0.10 0.91 0.00 1.07 0.00 0.00 42.92 44.67 2kmi s ASP 43 CO -0.06 -0.51 1.98 0.15 1.18 0.00 0.00 175.17 177.90 2kmi h PHE 44 N 2.21 0.57 0.00 4.23 3.57 -1.71 -3.12 116.94 122.69 2kmi h PHE 44 Ca -0.40 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 60.99 2kmi h PHE 44 Cb 1.24 -0.19 -0.27 0.00 2.79 0.00 0.00 35.95 39.52 2kmi h PHE 44 CO 0.61 0.29 -0.87 0.45 -2.23 0.00 0.00 178.31 176.56 2kmi n SER 45 N -4.48 0.74 -2.92 0.41 2.88 -1.26 -5.06 113.62 103.92 2kmi n SER 45 Ca 0.10 -2.05 -0.02 0.00 -1.33 0.00 0.00 58.87 55.57 2kmi n SER 45 Cb 0.30 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2kmi n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kmi n LYS 46 N 0.31 -2.28 -2.92 -1.46 5.02 -1.18 -4.87 118.16 110.78 2kmi n LYS 46 Ca 0.05 2.01 -0.44 0.00 -2.02 0.00 0.00 58.31 57.91 2kmi n LYS 46 Cb 1.01 -3.78 -0.03 0.00 -0.02 0.00 0.00 35.03 32.20 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kmi s LEU 47 N -1.53 4.77 -0.64 -0.35 1.43 -1.26 -4.93 118.68 116.18 2kmi s LEU 47 Ca 0.03 -1.44 0.06 0.00 -1.03 0.00 0.00 54.13 51.75 2kmi s LEU 47 Cb -0.01 -2.39 0.23 0.00 0.03 0.00 0.00 46.19 44.05 2kmi s LEU 47 CO 0.53 -1.26 0.67 -0.90 0.23 0.00 0.00 176.35 175.62 2kmi n ASP 48 N 7.09 3.34 0.19 2.29 5.68 -1.26 -4.89 116.55 128.99 2kmi n ASP 48 Ca 0.06 -3.33 0.14 0.00 -0.50 0.00 0.00 54.79 51.15 2kmi n ASP 48 Cb 0.46 -0.69 0.59 0.00 -1.14 0.00 0.00 41.12 40.34 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2kmi h PRO 49 N 4.49 0.00 0.00 0.11 0.13 -2.03 -3.46 132.00 131.24 2kmi h PRO 49 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2kmi h PRO 49 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kmi h PRO 49 CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 2kmi n GLY 50 N -0.02 1.69 3.77 1.56 0.00 -1.26 -5.10 105.19 105.83 2kmi n GLY 50 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2kmi n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmi s LYS 51 N -0.59 2.86 0.47 1.61 -2.85 -1.26 -5.00 119.74 114.98 2kmi s LYS 51 Ca 0.00 1.48 -0.23 0.00 -1.00 0.00 0.00 55.97 56.22 2kmi s LYS 51 Cb 0.00 -1.95 -0.07 0.00 -2.06 0.00 0.00 37.83 33.75 2kmi s LYS 51 CO 0.00 -1.22 1.16 -1.25 0.10 0.00 0.00 175.35 174.14 2kmi s PRO 52 N -3.89 3.72 0.20 1.78 0.04 -1.26 -4.96 135.00 130.62 2kmi s PRO 52 Ca 0.69 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.54 2kmi s PRO 52 Cb -0.22 -2.36 0.10 0.00 0.04 0.00 0.00 34.50 32.06 2kmi s PRO 52 CO 0.39 -0.58 1.45 1.05 0.04 0.00 0.00 177.00 179.35 2kmi h GLU 53 N 1.96 0.12 0.01 4.56 4.11 -2.00 -3.27 114.58 120.07 2kmi h GLU 53 Ca -0.49 -0.12 0.03 0.00 0.07 0.00 0.00 59.36 58.85 2kmi h GLU 53 Cb 1.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 2kmi h GLU 53 CO 0.60 0.84 -0.31 0.77 0.07 0.00 0.00 179.01 180.98 2kmi h SER 54 N 0.08 -0.94 -0.34 3.06 0.02 -2.02 -0.71 113.55 112.70 2kmi h SER 54 Ca -0.02 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 2kmi h SER 54 Cb 1.37 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 2kmi h SER 54 CO 0.11 -0.38 0.23 0.40 -1.14 0.00 0.00 176.83 176.06 2kmi h ILE 55 N -0.47 0.90 0.00 3.27 1.08 -1.98 0.22 117.51 120.53 2kmi h ILE 55 Ca 0.06 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 2kmi h ILE 55 Cb 0.55 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2kmi h ILE 55 CO -0.26 0.03 -0.09 0.25 -0.69 0.00 0.00 178.15 177.39 2kmi h LEU 56 N 0.14 0.00 -1.41 1.44 6.46 -1.18 -1.56 115.31 119.20 2kmi h LEU 56 Ca 0.15 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 2kmi h LEU 56 Cb 0.44 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2kmi h LEU 56 CO -0.02 0.09 -0.29 0.11 -0.62 0.00 0.00 178.44 177.70 2kmi h LYS 57 N 0.00 0.00 -0.50 1.25 1.79 -0.65 -2.54 116.57 115.93 2kmi h LYS 57 Ca -0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.54 2kmi h LYS 57 Cb 0.19 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 2kmi h LYS 57 CO 0.01 0.29 0.33 1.98 -1.08 0.00 0.00 179.45 180.99 2kmi h MET 58 N 0.00 0.35 -4.87 3.15 4.05 -1.37 -3.38 114.93 112.86 2kmi h MET 58 Ca -0.00 -0.02 -0.66 0.00 -0.28 0.00 0.00 59.70 58.74 2kmi h MET 58 Cb 0.52 -0.08 -0.21 0.00 -0.80 0.00 0.00 31.60 31.03 2kmi h MET 58 CO 0.04 0.23 -0.57 0.95 0.23 0.00 0.00 176.91 177.78 2kmi s THR 59 N -5.34 4.65 -0.52 -0.77 -4.23 -0.96 -5.02 115.64 103.46 2kmi s THR 59 Ca -0.07 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.30 2kmi s THR 59 Cb 0.19 -3.26 0.19 0.00 1.34 0.00 0.00 72.50 70.96 2kmi s THR 59 CO 0.74 0.21 0.44 0.29 -0.54 0.00 0.00 174.62 175.76 2kmi n LYS 60 N 4.98 0.93 -3.04 3.99 5.02 -1.26 -4.83 118.16 123.95 2kmi n LYS 60 Ca -0.15 -3.69 -0.06 0.00 -2.02 0.00 0.00 58.31 52.39 2kmi n LYS 60 Cb 0.51 -1.84 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 2kmi n LYS 60 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kmi s LYS 61 N -0.75 0.93 -0.35 1.97 2.47 -1.26 -5.12 119.74 117.62 2kmi s LYS 61 Ca 0.31 -0.88 -0.14 0.00 -1.56 0.00 0.00 55.97 53.71 2kmi s LYS 61 Cb 0.04 -0.20 -0.01 0.00 -1.46 0.00 0.00 37.83 36.20 2kmi s LYS 61 CO -0.17 -1.27 0.30 0.20 0.16 0.00 0.00 175.35 174.57 2kmi s GLY 62 N 1.18 1.95 -0.14 5.54 0.00 -0.99 -4.60 107.32 110.26 2kmi s GLY 62 Ca 0.24 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 2kmi s GLY 62 CO -0.07 0.88 0.37 0.54 0.00 0.00 0.00 173.10 174.82 2kmi s LYS 63 N 1.84 0.39 0.09 2.90 1.02 -0.62 -3.36 119.74 122.01 2kmi s LYS 63 Ca 0.08 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.50 2kmi s LYS 63 Cb -0.17 0.10 -0.07 0.00 -0.52 0.00 0.00 37.83 37.17 2kmi s LYS 63 CO 0.11 -0.10 0.55 0.99 -0.92 0.00 0.00 175.35 175.98 2kmi s THR 64 N 0.68 4.80 -0.16 2.17 2.01 -1.00 -4.52 115.64 119.62 2kmi s THR 64 Ca -0.04 1.05 -0.01 0.00 0.31 0.00 0.00 61.69 63.01 2kmi s THR 64 Cb -0.05 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2kmi s THR 64 CO -0.05 0.45 -0.13 -1.48 -0.69 0.00 0.00 174.62 172.73 2kmi s LEU 65 N -1.39 2.61 -0.30 4.42 2.34 -1.26 -4.16 118.68 120.94 2kmi s LEU 65 Ca 0.31 -0.43 -0.09 0.00 0.06 0.00 0.00 54.13 53.99 2kmi s LEU 65 Cb -0.18 -1.61 0.17 0.00 -0.56 0.00 0.00 46.19 44.01 2kmi s LEU 65 CO 0.18 0.08 0.80 -0.32 -1.06 0.00 0.00 176.35 176.03 2kmi s MET 66 N 0.87 0.42 -0.21 1.48 1.75 -1.18 -3.61 119.30 118.82 2kmi s MET 66 Ca -0.03 0.90 -0.15 0.00 -1.25 0.00 0.00 55.69 55.15 2kmi s MET 66 Cb -0.15 0.52 0.06 0.00 2.84 0.00 0.00 34.83 38.10 2kmi s MET 66 CO -0.00 -0.31 0.53 -1.64 -0.65 0.00 0.00 175.02 172.95 2kmi s MET 67 N 2.79 0.58 -0.09 4.11 -1.94 -1.19 -0.39 119.30 123.16 2kmi s MET 67 Ca 0.04 0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 54.88 2kmi s MET 67 Cb -0.11 0.17 0.03 0.00 2.01 0.00 0.00 34.83 36.93 2kmi s MET 67 CO -0.18 -0.12 -0.02 -0.06 -0.01 0.00 0.00 175.02 174.63 2kmi s PHE 68 N 0.92 0.94 0.02 -0.03 0.08 -0.80 -3.11 117.98 115.99 2kmi s PHE 68 Ca -0.05 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.61 2kmi s PHE 68 Cb -0.05 -0.94 -0.01 0.00 -0.57 0.00 0.00 43.02 41.44 2kmi s PHE 68 CO -0.08 -0.39 0.03 0.08 -0.10 0.00 0.00 175.22 174.76 2kmi s VAL 69 N 1.89 0.10 -0.44 -0.44 1.01 -0.84 -0.10 120.40 121.57 2kmi s VAL 69 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2kmi s VAL 69 Cb -0.12 -0.37 0.21 0.00 0.00 0.00 0.00 36.38 36.09 2kmi s VAL 69 CO -0.06 -0.47 0.90 1.07 0.00 0.00 0.00 175.10 176.53 2kmi n THR 70 N 1.48 0.00 -3.59 3.92 5.66 -1.06 -1.45 114.28 119.24 2kmi n THR 70 Ca -0.23 -0.71 -0.05 0.00 -3.05 0.00 0.00 64.05 60.01 2kmi n THR 70 Cb 0.55 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 70.20 2kmi n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kmi s VAL 71 N 0.87 0.00 -0.25 1.08 0.11 -1.13 -1.06 120.40 120.02 2kmi s VAL 71 Ca 0.28 -0.07 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2kmi s VAL 71 Cb 0.07 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2kmi s VAL 71 CO -0.08 0.00 0.82 -0.94 -3.33 0.00 0.00 175.10 171.56 2kmi s SER 72 N -2.40 6.81 0.00 3.54 1.04 -1.26 -3.25 113.70 118.19 2kmi s SER 72 Ca 0.09 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2kmi s SER 72 Cb -0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2kmi s SER 72 CO -0.05 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2kmi n GLY 73 N 3.79 1.23 2.71 7.32 0.00 -1.25 -3.63 105.19 115.36 2kmi n GLY 73 Ca 0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 2kmi n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kmi n ASN 74 N 0.00 -2.15 -4.55 1.61 2.85 -1.12 -4.33 115.26 107.57 2kmi n ASN 74 Ca 0.00 -2.18 -0.37 0.00 -0.11 0.00 0.00 54.58 51.92 2kmi n ASN 74 Cb 0.00 1.20 -0.03 0.00 1.24 0.00 0.00 39.78 42.19 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kmi s PRO 75 N 0.61 2.61 -0.33 1.20 0.04 -1.26 -3.47 135.00 134.40 2kmi s PRO 75 Ca 0.28 0.46 0.15 0.00 0.04 0.00 0.00 61.00 61.93 2kmi s PRO 75 Cb 0.16 -4.50 0.43 0.00 0.04 0.00 0.00 34.50 30.63 2kmi s PRO 75 CO -0.13 -2.84 1.39 0.25 0.04 0.00 0.00 177.00 175.71 2kmi n THR 76 N 7.32 0.36 -0.24 1.26 -2.24 -1.26 -4.95 114.28 114.52 2kmi n THR 76 Ca 0.24 -1.64 0.19 0.00 -2.27 0.00 0.00 64.05 60.57 2kmi n THR 76 Cb 0.51 1.06 0.52 0.00 -2.10 0.00 0.00 70.33 70.32 2kmi n THR 76 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kmi h GLU 77 N 1.63 0.38 0.53 -0.78 4.81 -1.84 0.21 114.58 119.52 2kmi h GLU 77 Ca -0.33 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 2kmi h GLU 77 Cb 1.29 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2kmi h GLU 77 CO -0.05 0.25 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.01 2kmi h LYS 78 N 0.39 -0.68 -0.52 1.92 3.11 -1.99 -2.90 116.57 115.89 2kmi h LYS 78 Ca 0.47 0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.41 2kmi h LYS 78 Cb 1.18 0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 32.51 2kmi h LYS 78 CO -0.17 -0.42 0.22 1.49 -2.81 0.00 0.00 179.45 177.76 2kmi h GLU 79 N -1.14 0.42 -0.91 1.90 4.57 -1.82 -1.15 114.58 116.45 2kmi h GLU 79 Ca -0.07 -0.03 0.21 0.00 -1.18 0.00 0.00 59.36 58.29 2kmi h GLU 79 Cb 0.58 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 2kmi h GLU 79 CO 0.12 0.28 0.60 1.79 -1.18 0.00 0.00 179.01 180.61 2kmi h THR 80 N 0.43 0.67 -0.23 0.32 1.35 -0.68 -0.59 112.91 114.17 2kmi h THR 80 Ca 0.25 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.96 2kmi h THR 80 Cb 0.23 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 2kmi h THR 80 CO -0.22 0.07 0.12 -0.08 -0.25 0.00 0.00 175.52 175.17 2kmi h GLU 81 N 0.40 0.33 -0.03 4.72 4.81 -0.99 -1.95 114.58 121.87 2kmi h GLU 81 Ca 0.47 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.67 2kmi h GLU 81 Cb 1.19 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 2kmi h GLU 81 CO -0.18 0.31 0.06 0.93 -0.73 0.00 0.00 179.01 179.41 2kmi h GLU 82 N 0.26 0.00 -0.34 1.92 5.08 -1.05 -0.95 114.58 119.50 2kmi h GLU 82 Ca 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2kmi h GLU 82 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2kmi h GLU 82 CO -0.01 0.00 -0.06 0.82 -1.00 0.00 0.00 179.01 178.76 2kmi h ILE 83 N 0.00 1.22 -0.92 3.13 1.08 -1.12 -2.72 117.51 118.18 2kmi h ILE 83 Ca 0.02 -0.94 0.08 0.00 -0.39 0.00 0.00 64.86 63.63 2kmi h ILE 83 Cb 0.14 1.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.85 2kmi h ILE 83 CO -0.00 0.31 0.60 0.74 -0.69 0.00 0.00 178.15 179.11 2kmi h THR 84 N 0.53 1.03 -0.35 -0.27 2.02 -1.20 -2.07 112.91 112.60 2kmi h THR 84 Ca 0.10 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2kmi h THR 84 Cb 0.43 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2kmi h THR 84 CO 0.02 0.18 0.16 -1.28 0.37 0.00 0.00 175.52 174.97 2kmi h SER 85 N 1.01 0.47 -0.02 4.18 0.87 -1.60 -2.13 113.55 116.33 2kmi h SER 85 Ca 0.41 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2kmi h SER 85 Cb 0.27 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2kmi h SER 85 CO -0.17 0.49 0.03 -0.07 -0.53 0.00 0.00 176.83 176.58 2kmi h LEU 86 N 0.43 0.00 -0.26 2.23 3.38 -1.38 -2.66 115.31 117.04 2kmi h LEU 86 Ca 0.12 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2kmi h LEU 86 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2kmi h LEU 86 CO -0.01 0.00 -0.21 -0.25 0.09 0.00 0.00 178.44 178.05 2kmi h TRP 87 N 0.00 -0.56 -0.91 1.13 7.01 -1.02 0.02 115.95 121.61 2kmi h TRP 87 Ca 0.01 0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.25 2kmi h TRP 87 Cb 0.07 0.29 -0.07 0.00 -2.10 0.00 0.00 29.16 27.35 2kmi h TRP 87 CO 0.00 -0.29 0.60 1.96 -2.79 0.00 0.00 178.44 177.92 2kmi h GLN 88 N -0.20 0.43 -0.57 2.65 4.20 -1.59 -0.95 115.11 119.08 2kmi h GLN 88 Ca 0.14 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.91 2kmi h GLN 88 Cb 0.43 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 2kmi h GLN 88 CO -0.39 0.29 0.23 0.78 -0.67 0.00 0.00 178.83 179.07 2kmi h GLY 89 N 0.44 0.79 2.00 3.46 0.00 -1.11 -0.65 103.07 108.01 2kmi h GLY 89 Ca 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 2kmi h GLY 89 CO -0.20 0.02 -0.09 0.23 0.00 0.00 0.00 176.54 176.50 2kmi h SER 90 N 0.42 0.00 -0.72 0.19 0.87 -1.11 -2.59 113.55 110.61 2kmi h SER 90 Ca 0.28 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.98 2kmi h SER 90 Cb 0.30 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.17 2kmi h SER 90 CO -0.26 0.09 0.24 0.25 -0.53 0.00 0.00 176.83 176.62 2kmi h LEU 91 N 0.00 0.17 -0.61 2.23 6.46 -1.05 0.30 115.31 122.82 2kmi h LEU 91 Ca -0.00 0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.73 2kmi h LEU 91 Cb 0.16 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2kmi h LEU 91 CO 0.01 0.05 -0.45 0.15 -0.62 0.00 0.00 178.44 177.58 2kmi h PHE 92 N 0.37 0.70 0.70 1.25 3.57 -1.50 -3.31 116.94 118.72 2kmi h PHE 92 Ca 0.40 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2kmi h PHE 92 Cb 0.62 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.22 2kmi h PHE 92 CO -0.20 0.93 -0.34 -0.97 -2.23 0.00 0.00 178.31 175.50 2kmi h ASN 93 N 0.46 -0.79 0.00 0.41 -1.24 -0.98 -3.44 115.58 110.00 2kmi h ASN 93 Ca 0.03 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2kmi h ASN 93 Cb 0.97 0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2kmi h ASN 93 CO 0.09 -0.41 0.00 0.00 -1.29 0.00 0.00 177.43 175.82 2kmi n ALA 94 N -2.71 2.39 -2.67 1.57 0.00 0.87 -1.85 120.51 118.12 2kmi n ALA 94 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 2kmi n ALA 94 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 2kmi n ALA 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kmi n ASN 95 N -1.59 -1.33 -3.34 0.00 5.15 -1.14 -4.84 115.26 108.17 2kmi n ASN 95 Ca 0.00 -1.90 -0.37 0.00 -0.60 0.00 0.00 54.58 51.72 2kmi n ASN 95 Cb 0.00 0.95 0.04 0.00 -0.53 0.00 0.00 39.78 40.24 2kmi n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kmi n TYR 96 N 1.06 -2.46 -2.82 1.20 4.11 -1.22 -4.82 117.16 112.21 2kmi n TYR 96 Ca -0.01 1.03 -0.43 0.00 -0.00 0.00 0.00 57.90 58.49 2kmi n TYR 96 Cb 0.73 -1.61 -0.04 0.00 -0.00 0.00 0.00 39.34 38.42 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2kmi s ASP 97 N -1.34 6.18 0.03 9.48 1.01 -1.25 -4.98 116.67 125.80 2kmi s ASP 97 Ca 0.36 -0.89 0.05 0.00 0.71 0.00 0.00 52.55 52.77 2kmi s ASP 97 Cb -0.04 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 2kmi s ASP 97 CO 0.81 -1.49 -0.14 0.54 0.21 0.00 0.00 175.17 175.10 2kmi s VAL 98 N 4.28 1.11 -0.04 -1.27 0.11 -1.26 -2.11 120.40 121.22 2kmi s VAL 98 Ca 0.24 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2kmi s VAL 98 Cb -0.16 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2kmi s VAL 98 CO 0.11 0.04 0.02 -1.10 -3.33 0.00 0.00 175.10 170.84 2kmi s GLN 99 N -1.05 0.22 -0.03 1.54 1.11 0.84 -4.90 119.66 117.40 2kmi s GLN 99 Ca 0.02 0.16 0.03 0.00 0.01 0.00 0.00 55.36 55.58 2kmi s GLN 99 Cb -0.08 -0.53 0.00 0.00 -1.01 0.00 0.00 33.01 31.39 2kmi s GLN 99 CO 0.01 -0.21 -0.12 0.50 0.01 0.00 0.00 175.29 175.48 2kmi s ARG 100 N 1.42 1.24 -0.03 2.91 3.52 -1.26 -1.72 118.95 125.04 2kmi s ARG 100 Ca -0.04 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 2kmi s ARG 100 Cb -0.13 -1.13 0.01 0.00 -1.56 0.00 0.00 34.95 32.14 2kmi s ARG 100 CO -0.03 0.17 0.16 0.12 -0.81 0.00 0.00 175.30 174.91 2kmi s PHE 101 N 0.11 -0.08 -0.07 5.12 5.36 -1.18 -2.95 117.98 124.29 2kmi s PHE 101 Ca -0.03 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 2kmi s PHE 101 Cb -0.09 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 2kmi s PHE 101 CO 0.01 -0.20 -0.10 0.42 -1.46 0.00 0.00 175.22 173.89 2kmi s ILE 102 N -0.67 1.02 -0.17 3.12 1.01 -1.26 -2.68 121.20 121.57 2kmi s ILE 102 Ca -0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2kmi s ILE 102 Cb -0.04 -0.95 0.08 0.00 0.01 0.00 0.00 42.46 41.55 2kmi s ILE 102 CO 0.01 0.33 0.36 0.54 0.00 0.00 0.00 174.94 176.18 2kmi s VAL 103 N 0.80 -0.47 0.00 2.92 0.11 -1.16 -5.07 120.40 117.52 2kmi s VAL 103 Ca -0.12 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2kmi s VAL 103 Cb -0.15 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2kmi s VAL 103 CO 0.02 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2kmi n GLY 104 N 5.19 1.31 1.01 6.54 0.00 -1.26 -3.12 105.19 114.85 2kmi n GLY 104 Ca -0.10 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.39 2kmi n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kmi n SER 105 N 4.57 3.24 -4.28 1.61 7.64 -1.26 -4.94 113.62 120.20 2kmi n SER 105 Ca 0.00 -1.93 -0.27 0.00 1.01 0.00 0.00 58.87 57.68 2kmi n SER 105 Cb 0.00 -0.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 2kmi n SER 105 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kmi s ASP 106 N -1.31 2.69 0.11 6.43 1.47 -1.18 -4.45 116.67 120.42 2kmi s ASP 106 Ca 0.34 -0.56 0.08 0.00 1.18 0.00 0.00 52.55 53.60 2kmi s ASP 106 Cb 0.20 -0.22 -0.04 0.00 -0.34 0.00 0.00 42.92 42.52 2kmi s ASP 106 CO 0.27 0.18 -0.21 0.00 0.68 0.00 0.00 175.17 176.09 2kmi s ARG 107 N -1.27 1.15 0.03 2.11 1.70 -1.20 -3.00 118.95 118.47 2kmi s ARG 107 Ca 0.09 -1.18 0.07 0.00 -0.47 0.00 0.00 55.73 54.24 2kmi s ARG 107 Cb -0.09 -1.44 -0.02 0.00 -0.57 0.00 0.00 34.95 32.83 2kmi s ARG 107 CO 0.02 0.33 -0.22 0.00 -1.08 0.00 0.00 175.30 174.36 2kmi s ALA 108 N -1.16 1.83 -0.06 7.88 0.00 -1.09 -2.85 121.76 126.31 2kmi s ALA 108 Ca 0.07 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2kmi s ALA 108 Cb -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2kmi s ALA 108 CO 0.04 0.42 -0.11 -1.50 0.00 0.00 0.00 175.76 174.62 2kmi s ILE 109 N -0.75 1.01 -0.06 0.00 1.10 -0.53 -3.13 121.20 118.85 2kmi s ILE 109 Ca 0.08 -0.41 -0.02 0.00 -0.51 0.00 0.00 60.65 59.80 2kmi s ILE 109 Cb -0.09 -0.94 0.03 0.00 0.15 0.00 0.00 42.46 41.61 2kmi s ILE 109 CO 0.01 0.33 0.02 0.12 -2.11 0.00 0.00 174.94 173.31 2kmi s PHE 110 N 0.72 0.47 -0.07 3.50 2.19 -0.70 -1.99 117.98 122.10 2kmi s PHE 110 Ca -0.14 -0.03 -0.04 0.00 0.33 0.00 0.00 56.93 57.04 2kmi s PHE 110 Cb -0.15 -0.70 0.03 0.00 -1.31 0.00 0.00 43.02 40.89 2kmi s PHE 110 CO 0.03 -0.29 0.17 0.00 1.83 0.00 0.00 175.22 176.96 2kmi s MET 111 N 2.04 0.15 -0.01 10.12 0.23 -1.18 -0.11 119.30 130.53 2kmi s MET 111 Ca 0.05 0.34 -0.15 0.00 -1.03 0.00 0.00 55.69 54.89 2kmi s MET 111 Cb -0.12 -0.06 0.02 0.00 -1.53 0.00 0.00 34.83 33.14 2kmi s MET 111 CO -0.05 -0.11 0.33 -1.17 -2.03 0.00 0.00 175.02 171.99 2kmi s LEU 112 N 0.75 0.79 0.20 0.18 1.98 -0.90 -3.16 118.68 118.52 2kmi s LEU 112 Ca -0.05 0.09 -0.11 0.00 -2.89 0.00 0.00 54.13 51.17 2kmi s LEU 112 Cb -0.07 1.33 0.27 0.00 0.66 0.00 0.00 46.19 48.38 2kmi s LEU 112 CO -0.04 -0.47 1.70 0.03 -1.89 0.00 0.00 176.35 175.68 2kmi h ARG 113 N 3.78 0.21 0.00 1.98 -0.00 -1.83 -3.31 114.38 115.20 2kmi h ARG 113 Ca -0.30 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.17 2kmi h ARG 113 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.10 2kmi h ARG 113 CO 0.40 0.14 0.00 -0.25 0.00 0.00 0.00 179.97 180.26 2kmi n ASP 114 N -5.16 0.00 0.00 7.04 8.00 -1.26 -4.01 116.55 121.15 2kmi n ASP 114 Ca 0.08 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2kmi n ASP 114 Cb 0.31 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2kmi n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kmi n GLY 115 N 2.08 2.15 0.29 0.44 0.00 -1.25 -4.72 105.19 104.19 2kmi n GLY 115 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 2kmi n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kmi h SER 116 N 0.00 0.69 0.18 1.61 0.02 -1.95 0.24 113.55 114.34 2kmi h SER 116 Ca 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2kmi h SER 116 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2kmi h SER 116 CO 0.00 0.70 -0.08 1.88 -1.14 0.00 0.00 176.83 178.19 2kmi h TYR 117 N 0.71 -0.22 0.00 3.45 0.05 -2.01 -3.07 116.97 115.89 2kmi h TYR 117 Ca 0.16 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 2kmi h TYR 117 Cb 0.30 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 2kmi h TYR 117 CO 0.02 0.07 -0.45 0.00 -1.05 0.00 0.00 178.16 176.74 2kmi h ALA 118 N 0.27 1.24 -0.82 3.88 0.00 -1.92 -2.90 119.26 119.01 2kmi h ALA 118 Ca -0.02 -0.41 0.24 0.00 0.00 0.00 0.00 54.91 54.71 2kmi h ALA 118 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kmi h ALA 118 CO 0.04 0.57 0.59 2.35 0.00 0.00 0.00 179.25 182.79 2kmi h TRP 119 N 0.00 0.02 0.84 0.00 2.91 -0.42 0.23 115.95 119.53 2kmi h TRP 119 Ca -0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 2kmi h TRP 119 Cb 0.81 -0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.46 2kmi h TRP 119 CO 0.00 0.00 -0.41 1.49 -1.03 0.00 0.00 178.44 178.50 2kmi h GLU 120 N 0.01 -1.09 0.00 2.65 4.57 -1.53 -3.08 114.58 116.11 2kmi h GLU 120 Ca 0.39 0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.56 2kmi h GLU 120 Cb 1.54 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 30.37 2kmi h GLU 120 CO -0.01 -0.72 -0.41 0.82 -1.18 0.00 0.00 179.01 177.51 2kmi h ILE 121 N -1.27 1.28 -0.90 2.32 1.08 -1.53 -2.88 117.51 115.61 2kmi h ILE 121 Ca -0.12 -1.40 0.21 0.00 -0.39 0.00 0.00 64.86 63.17 2kmi h ILE 121 Cb 0.87 1.76 -0.06 0.00 -3.07 0.00 0.00 36.82 36.31 2kmi h ILE 121 CO 0.19 0.40 0.60 0.50 -0.69 0.00 0.00 178.15 179.15 2kmi h LYS 122 N 0.00 0.36 -0.62 2.37 3.11 -0.52 -0.46 116.57 120.81 2kmi h LYS 122 Ca -0.00 -0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.93 2kmi h LYS 122 Cb 0.72 -0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 31.79 2kmi h LYS 122 CO 0.05 0.24 0.16 0.22 -2.81 0.00 0.00 179.45 177.31 2kmi h ASP 123 N 0.37 0.06 -0.37 4.20 3.58 -1.42 0.26 116.42 123.10 2kmi h ASP 123 Ca 0.47 0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.86 2kmi h ASP 123 Cb 1.23 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 2kmi h ASP 123 CO -0.17 0.03 -0.41 0.15 -2.88 0.00 0.00 179.24 175.96 2kmi h PHE 124 N 0.30 1.13 0.92 0.28 3.57 -1.28 -2.18 116.94 119.67 2kmi h PHE 124 Ca 0.33 -0.35 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2kmi h PHE 124 Cb 0.48 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.00 2kmi h PHE 124 CO -0.23 1.18 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.52 2kmi h LEU 125 N 0.76 -1.05 -2.00 0.59 4.07 -0.92 -2.83 115.31 113.92 2kmi h LEU 125 Ca 0.05 0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.16 2kmi h LEU 125 Cb 1.01 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2kmi h LEU 125 CO 0.10 -0.70 0.27 1.62 -1.08 0.00 0.00 178.44 178.64 2kmi h VAL 126 N -1.33 0.81 -0.80 1.22 3.04 -0.61 -0.78 116.25 117.80 2kmi h VAL 126 Ca -0.13 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.79 2kmi h VAL 126 Cb 0.95 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.01 2kmi h VAL 126 CO 0.21 0.00 0.57 0.28 -1.01 0.00 0.00 177.57 177.62 2kmi h SER 127 N 0.00 0.02 -0.32 3.17 0.02 -1.13 0.11 113.55 115.42 2kmi h SER 127 Ca 0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2kmi h SER 127 Cb 0.70 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2kmi h SER 127 CO -0.00 0.01 0.11 1.56 -1.14 0.00 0.00 176.83 177.36 2kmi h GLN 128 N 0.02 0.50 -1.96 3.45 4.20 -1.18 -3.47 115.11 116.67 2kmi h GLN 128 Ca 0.38 -0.10 -0.35 0.00 0.06 0.00 0.00 58.65 58.64 2kmi h GLN 128 Cb 1.50 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 29.15 2kmi h GLN 128 CO -0.01 0.53 -0.41 -3.47 -0.67 0.00 0.00 178.83 174.80 2kmi n ASP 129 N -4.68 -5.11 -2.65 1.46 2.03 0.02 -4.82 116.55 102.80 2kmi n ASP 129 Ca -0.02 0.13 -0.02 0.00 0.52 0.00 0.00 54.79 55.39 2kmi n ASP 129 Cb 0.16 -4.18 0.11 0.00 -0.72 0.00 0.00 41.12 36.50 2kmi n ASP 129 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kmi n ARG 130 N -2.62 0.03 -3.72 -0.67 1.85 -0.22 -4.64 116.66 106.66 2kmi n ARG 130 Ca -0.20 -0.54 -0.12 0.00 -1.00 0.00 0.00 57.85 55.99 2kmi n ARG 130 Cb 0.63 -0.03 -0.11 0.00 -1.05 0.00 0.00 32.46 31.90 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kmi s ALA 132 N 0.84 3.15 -0.07 0.00 0.00 -1.26 -2.55 121.76 121.87 2kmi s ALA 132 Ca -0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 2kmi s ALA 132 Cb -0.06 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.51 2kmi s ALA 132 CO -0.06 0.34 0.32 -1.21 0.00 0.00 0.00 175.76 175.14 2kmi s GLU 133 N -0.07 0.52 -0.07 0.00 2.02 0.85 -4.18 118.70 117.77 2kmi s GLU 133 Ca 0.03 0.13 -0.09 0.00 0.02 0.00 0.00 54.97 55.06 2kmi s GLU 133 Cb -0.13 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.36 2kmi s GLU 133 CO 0.02 -0.11 0.24 0.54 0.02 0.00 0.00 175.26 175.97 2kmi s VAL 134 N -0.58 0.02 -0.10 2.63 0.11 -1.26 -1.91 120.40 119.30 2kmi s VAL 134 Ca -0.07 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 2kmi s VAL 134 Cb -0.04 -0.39 0.05 0.00 -1.53 0.00 0.00 36.38 34.48 2kmi s VAL 134 CO 0.02 -0.07 0.19 -0.89 -3.33 0.00 0.00 175.10 171.02 2kmi s THR 135 N -0.21 -0.31 -0.05 5.04 2.01 0.47 -4.51 115.64 118.09 2kmi s THR 135 Ca -0.03 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2kmi s THR 135 Cb -0.03 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.17 2kmi s THR 135 CO 0.01 0.14 0.08 -1.48 -0.69 0.00 0.00 174.62 172.68 2kmi s LEU 136 N 2.33 0.10 0.05 4.42 0.05 -1.26 -3.12 118.68 121.25 2kmi s LEU 136 Ca 0.02 0.13 0.05 0.00 0.05 0.00 0.00 54.13 54.39 2kmi s LEU 136 Cb -0.12 -0.06 -0.02 0.00 -2.05 0.00 0.00 46.19 43.94 2kmi s LEU 136 CO -0.07 -0.25 -0.15 -1.61 -0.55 0.00 0.00 176.35 173.72 2kmi s GLU 137 N 2.19 0.97 -0.46 1.48 8.01 -1.26 -4.84 118.70 124.80 2kmi s GLU 137 Ca 0.05 -0.86 0.07 0.00 0.01 0.00 0.00 54.97 54.23 2kmi s GLU 137 Cb -0.12 -1.01 0.30 0.00 -4.31 0.00 0.00 34.13 28.99 2kmi s GLU 137 CO -0.04 0.24 1.00 0.41 0.01 0.00 0.00 175.26 176.89 2kmi n GLY 138 N 1.67 0.82 3.44 -1.39 0.00 -1.26 -2.38 105.19 106.09 2kmi n GLY 138 Ca -0.19 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2kmi n GLY 138 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kmi s GLN 139 N 0.07 3.48 -1.68 1.61 2.00 -1.26 -4.40 119.66 119.48 2kmi s GLN 139 Ca 0.27 -0.61 0.00 0.00 -2.00 0.00 0.00 55.36 53.02 2kmi s GLN 139 Cb 0.28 -3.46 0.00 0.00 0.80 0.00 0.00 33.01 30.63 2kmi s GLN 139 CO -0.11 -0.31 0.00 -0.12 -0.50 0.00 0.00 175.29 174.25 2kmi n MET 140 N 4.95 -1.29 -2.98 1.67 1.56 -1.26 -3.34 117.12 116.43 2kmi n MET 140 Ca -0.15 0.99 -0.00 0.00 -0.27 0.00 0.00 57.70 58.27 2kmi n MET 140 Cb 0.50 -5.33 0.00 0.00 2.15 0.00 0.00 33.22 30.54 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2kmi n TYR 141 N -3.19 -2.85 -2.26 1.12 4.01 -1.26 -4.73 117.16 108.01 2kmi n TYR 141 Ca -0.19 1.09 -0.37 0.00 -0.16 0.00 0.00 57.90 58.27 2kmi n TYR 141 Cb 0.61 -3.99 -0.01 0.00 -0.31 0.00 0.00 39.34 35.64 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kmi s PRO 142 N -3.00 3.70 7.89 -0.72 0.04 -1.21 -4.46 135.00 137.24 2kmi s PRO 142 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2kmi s PRO 142 Cb -0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2kmi s PRO 142 CO 0.71 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.57 2kmi n GLY 143 N 0.40 2.51 3.50 0.56 0.00 -1.18 -1.59 105.19 109.39 2kmi n GLY 143 Ca 0.08 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2kmi n GLY 143 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kmi n LYS 144 N 11.64 0.85 0.00 1.61 3.00 -1.26 -4.25 118.16 129.75 2kmi n LYS 144 Ca 0.00 0.13 0.14 0.00 -0.00 0.00 0.00 58.31 58.59 2kmi n LYS 144 Cb 0.00 -2.61 0.60 0.00 0.00 0.00 0.00 35.03 33.02 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81